Full Regression: openmp — 2026-08-08T16-14-06Z_49a3c29ee8

Configuration: 2 MPI tasks with 2 OpenMP threads via the OPENMP package

865

Tests

244

Passed

309

Failed

115

Errors

Timeouts

138

Runtest

Skipped

17 test(s) hit the time limit of the test harness (180 s limit) and are counted apart from the errors: whether they expire depends on the limit in force and on the load of the machine.

138 test(s) are runtests. A "runtest" ran to completion but could not be checked against anything - there is no reference log file, or the run was a "-skiprun" dry run - so only the run itself was tested: it is neither passed nor skipped, and counted apart from both. What each of them lacks is counted under not really tested below.

title	Full Regression Test / MPI+OpenMP
sha	49a3c29ee86dd7e1646befc7c17de98b92efd33e
branch	preview
version	patch_4Jul2026-1060-g49a3c29ee8-modified
generated	2026-08-08T16:14:06Z
source_url	https://download.lammps.org/coverage/openmp.json
operating_system	OS: Linux "Fedora Linux 44 (Forty Four)" 7.1.4-204.fc44.x86_64 x86_64
git_info	Git info (preview / patch_4Jul2026-1060-g49a3c29ee8-modified)
compiler	Compiler: Clang C++ Clang 22.1.8 (Fedora 22.1.8-4.fc44) with OpenMP 5.1
compile_flags	-DLAMMPS_GZIP -DLAMMPS_PNG -DLAMMPS_JPEG -DLAMMPS_FFMPEG -DLAMMPS_CURL -DLAMMPS_SMALLBIG
config_file	config_openmp.yaml
lmp_binary	/home/akohlmey/compile/lammps-analyze/build-regression/lmp

Changes vs 2026-08-08T09-13-01Z_227ecb2da6

2 new tests · 2 removed vs previous run

New tests (2)

PACKAGES/pod/InP/in.fitpod.InP
PACKAGES/pod/InP/in.pod.InP

Removed tests (2)

PACKAGES/pod/InP/in.fitpod
PACKAGES/pod/InP/in.pod

Needs a fix in the examples tree (195)

Problems with the input scripts rather than with the code. These stay until somebody edits the example, and they are reported independently of the verdict, so a test that passes can carry one.

production sized run (31)

HEAT/in.lj.ehex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
HEAT/in.lj.hex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
HEAT/in.spce.ehex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
HEAT/in.spce.hex
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/apip/in.surface.la.cons.balance
the run needs 49 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/basal/in.basal
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve
the run needs 53 s: a production sized run that should be shortened in the repository
PACKAGES/electrode/au-aq/in.ffield
the run needs 68 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/au-aq/in.tf
the run needs 68 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
PACKAGES/electrode/piston/in.piston
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/confined_colloid/in.confined_colloids
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/diffusingsphere/in.trapnewsphere
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/dragforce/in.dragtest
the run needs 120 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/microrheology/in.microrheology
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/pit_geometry/in.pits
the run needs 85 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/planewall/in.planewall
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/polymer/in.polymer
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/toycar/in.toycar
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/latboltz/translocation/in.translocation
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
PACKAGES/mbx/na+_slab/in.na+_slab
the run needs 73 s: a production sized run that should be shortened in the repository
PACKAGES/smtbq/in.smtbq.Al2O3
the run needs 99 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
PACKAGES/smtbq/in.smtbq.TiO2
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
bpm/metamaterial/in.bpm.metamaterial
the run needs 62 s: a production sized run that should be shortened in the repository
bpm/pour/in.bpm.pour
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
granregion/in.granregion.funnel
the run needs 70 s: a production sized run that should be shortened in the repository
gransurf/in.screwfeeder.local
the run needs 62 s: a production sized run that should be shortened in the repository
rheo/balloon/in.rheo.balloon
the run needs 179 s: a production sized run that should be shortened in the repository
rheo/dam-break/in.rheo.dam.break
the run needs 96 s: a production sized run that should be shortened in the repository
rheo/ice-cubes/in.rheo.ice.cubes
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
rheo/oxidation/in.rheo.oxidation
the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
streitz/in.ctip
the run needs 69 s: a production sized run that should be shortened in the repository

reference log file matches no input (54)

PACKAGES/apip/in.surface.balance
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/apip/in.surface.la.cons
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/apip/in.surface.la.cons.balance
the run needs 49 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
PACKAGES/apip/in.vacancy.dynamic.lambda
no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
PACKAGES/dielectric/in.confined
no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
PACKAGES/dielectric/in.nopbc
no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps
no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
PACKAGES/dpd-smooth/2d-diffusion/in.lammps
no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
PACKAGES/dpd-smooth/equipartition-verification/in.lammps
no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
PACKAGES/electrode/graph-il/in.conp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.conq2
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.etypes
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ffield
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.ramp
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/graph-il/in.thermo
no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
PACKAGES/electrode/madelung/in.cg
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.ewald-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ew3dc
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/electrode/madelung/in.pppm-ffield
no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
PACKAGES/fep/CC-CO/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CC-CO/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp
no reference log file matches this input, while log.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp
no reference log file matches this input, while log.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp
no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp
no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp
no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp
no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/fep/ta/in.spce.lmp
no reference log file matches this input, while log.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
PACKAGES/mofff/in.hkust1
no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/mofff/in.hkust1_long
no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized
no reference log file matches this input, while log.11Feb2026.tiny_nylon_stabilized.g++.1, log.11Feb2026.tiny_nylon_stabilized.g++.4, log.tiny_nylon.stabilized.smoke.1, ... in this folder match no inp ...
PACKAGES/smtbq/in.smatbAgCuPancake
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smatbBulkFCC
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smtbq.Al
no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
PACKAGES/smtbq/in.smtbq.Al2O3
the run needs 99 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
QUANTUM/NWChem/in.water.mm
no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
QUANTUM/NWChem/in.zeolite.mm
no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
bpm/impact/in.bpm.impact.rotational
no reference log file matches this input, while log.bpm.impact.rotational.1, log.bpm.impact.rotational.2, log.bpm.impact.rotational.4, ... in this folder match no input script at all: check the names
bpm/peri/benchmark/in.bench.bpm.pmb
no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
bpm/peri/benchmark/in.bench.legacy.pmb
no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
bpm/peri/in.bpm.peri.eps
no reference log file matches this input, while log.bpm.peri.eps.1, log.bpm.peri.eps.2, log.bpm.peri.eps.4, ... in this folder match no input script at all: check the names
rigid/in.rigid.cubes.multirun
no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
rigid/in.rigid.small.kk
no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
snap/in.snap.grid
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
snap/in.snap.grid.triclinic
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
snap/in.snap.scale.Ni_Zuo_JCPA2020
no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
... and 4 more

style exists in no package (2)

reaxff/water/in.water.qeqr
names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input
reaxff/water/in.water.qeqr.field
names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input

velocities depend on the MPI count (110)

DIFFUSE/in.msd.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.msd.2d.g++.8, which was written with 8 MPI processes instead of 2
DIFFUSE/in.vacf.2d
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.vacf.2d.g++.8, which was written with 8 MPI processes instead of 2
KAPPA/in.ehex
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.ehex.g++.8, which was written with 8 MPI processes instead of 2
KAPPA/in.heat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heat.g++.8, which was written with 8 MPI processes instead of 2
KAPPA/in.heatflux
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heatflux.g++.8, which was written with 8 MPI processes instead of 2; the run needs 61 s: a production ...
KAPPA/in.langevin
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.langevin.g++.8, which was written with 8 MPI processes instead of 2
KAPPA/in.mp
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.mp.g++.8, which was written with 8 MPI processes instead of 2; the run needs 47 s: a production sized ...
LEPTON/in.efield-lepton
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Jan25.efield-lepton.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/addtorque_group/in.addtorque
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.10Sep2025.addtorque.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/brownian/align_self/in.alignself_dipole
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_dipole.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/brownian/align_self/in.alignself_quat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/cauchy/in.cauchystat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2
PACKAGES/dispersion/in.d2
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dispersion/in.d3
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-basic/dpd/in.dpd
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-basic/dpdext/in.dpdext
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/edpd/in.edpd
velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/edpd/in.edpd-region
velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/mdpd/in.mdpd
velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/tdpd/in.tdpd
velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/dpd-meso/tdpd/in.tdpd-region
velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/edip/in.edip-Si
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/edip/in.edip-Si-multi
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si-multi.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.cascade_AlCu
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.cascade_SiSi
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2
PACKAGES/electron_stopping/in.elstop
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Mar19.elstop.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/hma/in.hma
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/meam_spline/in.meam-spline.Si
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/meam_spline/in.meam-spline.TiO2
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.TiO2.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/mgpt/in.bcc0
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/mgpt/in.vac0-bcc
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.converge
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.simple
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/moments/in.valtest
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/pedone/in.pedone.melt
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Apr24.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/qtb/methane_qtb/in.methane_qtb
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Nov23.methane_qtb.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/rhok/in.crystal
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.crystal.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/rhok/in.setup
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.setup.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/shock/hugoniostat/in.hugoniostat
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.hugoniostat.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/shock/msst/in.msst
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.msst.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/symmetry/in.lj_pinv
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pinv.g++.4, which was written with 4 MPI processes instead of 2
PACKAGES/symmetry/in.lj_pm_wyckoff
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pm_wyckoff.g++.4, which was written with 4 MPI processes instead of 2
SPIN/cobalt_fcc/in.spin.cobalt_fcc
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2
SPIN/cobalt_hcp/in.spin.cobalt_hcp
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_hcp.g++.4, which was written with 4 MPI processes instead of 2
SPIN/dipole_spin/in.spin.iron_dipole_cut
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2
SPIN/dipole_spin/in.spin.iron_dipole_ewald
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2
SPIN/dipole_spin/in.spin.iron_dipole_pppm
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2
SPIN/iron/in.spin.iron
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron.g++.4, which was written with 4 MPI processes instead of 2
SPIN/iron/in.spin.iron_cubic
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_cubic.g++.4, which was written with 4 MPI processes instead of 2
SPIN/nickel/in.spin.nickel
velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel.g++.4, which was written with 4 MPI processes instead of 2
... and 60 more

Worth investigating (129)

A classical MD trajectory is chaotic, so a difference that appears late says nothing about the code, while one that is there in the first thermo output cannot be rounding. Inputs that cannot match their reference log file are listed above instead.

Differs before the trajectory can diverge (37)

ASPHERE/tri/in.tri.srd
differs in the very first thermo output
PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data
differs in the very first thermo output
PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule
differs in the very first thermo output
PACKAGES/charge_regulation/in.chreg-polymer
differs in the very first thermo output
PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long
differs in the very first thermo output
PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat
differs in the very first thermo output
PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat
differs in the very first thermo output
PACKAGES/ilves/in.covid
differs in the very first thermo output
PACKAGES/ilves/in.polymelt
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water
differs in the very first thermo output
PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt
differs in the very first thermo output
PACKAGES/interlayer/drip/in.C_drip
differs in the very first thermo output
PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene
differs in the very first thermo output
PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene
differs in the very first thermo output
PACKAGES/mbx/256h2o/in.256h2o
differs in the very first thermo output
PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole
differs in the very first thermo output
PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst
differs in the very first thermo output
PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb
differs in the very first thermo output
PACKAGES/rhok/in.pinning
differs in the very first thermo output
QUANTUM/PySCF/in.mixture.mm
differs in the very first thermo output
SPIN/read_restart/in.spin.restart
differs in the very first thermo output
VISCOSITY/in.cos.1000SPCE
differs in the very first thermo output
amoeba/in.water_dimer.amoeba
differs in the very first thermo output
amoeba/in.water_dimer.hippo
differs in the very first thermo output
amoeba/in.water_hexamer.amoeba
differs in the very first thermo output
amoeba/in.water_hexamer.hippo
differs in the very first thermo output
deposit/in.deposit.atom
differs in the very first thermo output
reaxff/AuO/in.AuO
differs in the very first thermo output
reaxff/HNS/in.reaxff.hns
differs in the very first thermo output
reaxff/in.reaxff.rdx-shielded
differs in the very first thermo output
reaxff/in.reaxff.tatb-shielded
differs in the very first thermo output
rheo/taylor-green/in.rheo.taylor.green
differs in the very first thermo output
rigid/in.rigid.dipoles
differs in the very first thermo output
rigid/in.rigid.spheres
differs in the very first thermo output
streitz/in.streitz.ewald
differs in the very first thermo output
template/in.mol-restart-mix
differs in the very first thermo output

Differs within the first 200 steps (92)

ASPHERE/flat_membrane/in.flat_membrane
differs from step 200 on (output row 1)
ASPHERE/vesicle/in.vesicle
differs from step 200 on (output row 1)
MC-LOOP/in.mc
differs from step 0 on (output row 1)
PACKAGES/apip/in.validate
differs from step 0 on (output row 2)
PACKAGES/baoab/in.baoab_lj
differs from step 100 on (output row 1)
PACKAGES/brownian/spherical_ABP/in.2d.abp
differs from step 0 on (output row 51)
PACKAGES/charge_regulation/in.chreg-acid
differs from step 100 on (output row 1)
PACKAGES/charge_regulation/in.chreg-acid-real
differs from step 100 on (output row 1)
PACKAGES/cnp/in.cnp
differs from step 10 on (output row 1)
PACKAGES/drude/butane/in.butane.lang
differs from step 50 on (output row 1)
PACKAGES/drude/butane/in.butane.nh
differs from step 150 on (output row 3)
PACKAGES/drude/butane/in.butane.tgnh
differs from step 50 on (output row 1)
PACKAGES/drude/ethanol/in.ethanol.lang
differs from step 20 on (output row 1)
PACKAGES/drude/ethanol/in.ethanol.nh
differs from step 60 on (output row 3)
PACKAGES/drude/ethanol/in.ethanol.tgnh
differs from step 20 on (output row 1)
PACKAGES/drude/ethylene_glycol/in.ethylene_glycol
differs from step 50 on (output row 1)
PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang
differs from step 20 on (output row 1)
PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh
differs from step 20 on (output row 1)
PACKAGES/drude/toluene/in.toluene.lang
differs from step 50 on (output row 1)
PACKAGES/drude/toluene/in.toluene.nh
differs from step 50 on (output row 1)
PACKAGES/eff/ECP/Si2H6/in.Si2H6
differs from step 54 on (output row 27)
PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang
differs from step 50 on (output row 5)
PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt
differs from step 70 on (output row 7)
PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang
differs from step 63 on (output row 1)
PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr
differs from step 47 on (output row 1)
PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang
differs from step 30 on (output row 3)
PACKAGES/extep/in.extep-bn
differs from step 60 on (output row 6)
PACKAGES/filter_corotate/in.peptide
differs from step 100 on (output row 2)
PACKAGES/gle/in.h2o-quantum
differs from step 100 on (output row 1)
PACKAGES/gle/in.h2o-smart
differs from step 100 on (output row 1)
PACKAGES/grem/lj-single/in.gREM-npt
differs from step 20 on (output row 2)
PACKAGES/ilves/in.cg-polymers
differs from step 100 on (output row 1)
PACKAGES/interlayer/ilp_tmds/in.mos2
differs from step 100 on (output row 1)
PACKAGES/interlayer/saip_metal_tmd/in.au_mos2
differs from step 100 on (output row 1)
PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d
differs from step 100 on (output row 1)
PACKAGES/meam_sw_spline/Si/in.dc_relax
differs from step 136 on (output row 136)
PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw
differs from step 140 on (output row 14)
PACKAGES/neighbor-swap/in.KMC_pulse_center
differs from step 100 on (output row 2)
PACKAGES/neighbor-swap/in.KMC_pulse_edge
differs from step 100 on (output row 2)
PACKAGES/plumed/in.peptide-plumed
differs from step 10 on (output row 1)
PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst
differs from step 20 on (output row 1)
PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene
differs from step 100 on (output row 1)
PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt
differs from step 50 on (output row 1)
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability
differs from step 50 on (output row 1)
PACKAGES/srp_react/in.srp_react
differs from step 100 on (output row 1)
SPIN/bfo/in.spin.bfo
differs from step 50 on (output row 1)
SPIN/read_restart/in.spin.write_restart
differs from step 100 on (output row 1)
SPIN/spinmin/in.spin.bfo_min
differs from step 50 on (output row 1)
SPIN/spinmin/in.spin.bfo_min_cg
differs from step 100 on (output row 1)
SPIN/spinmin/in.spin.iron_min
differs from step 100 on (output row 1)
... and 42 more

Differs after 200 to 1000 steps (37)

ASPHERE/box/in.box
differs from step 1000 on (output row 12)
ASPHERE/box/in.box.mp
differs from step 1000 on (output row 12)
ASPHERE/dimer/in.dimer
differs from step 1000 on (output row 12)
ASPHERE/dimer/in.dimer.mp
differs from step 1000 on (output row 12)
ASPHERE/ellipsoid/in.ellipsoid
differs from step 1000 on (output row 10)
ASPHERE/ellipsoid/in.ellipsoid.mp
differs from step 1000 on (output row 10)
ASPHERE/line/in.line
differs from step 1000 on (output row 1)
ASPHERE/poly/in.poly
differs from step 1000 on (output row 3)
ASPHERE/poly/in.poly.mp
differs from step 1000 on (output row 3)
ASPHERE/star/in.star
differs from step 1000 on (output row 12)
ASPHERE/star/in.star.mp
differs from step 1000 on (output row 12)
PACKAGES/bocs/in.methanol
differs from step 500 on (output row 1)
PACKAGES/brownian/2d_velocity/in.2d.velocity
differs from step 500 on (output row 1)
PACKAGES/eff/CH4/in.ch4.dynamics
differs from step 1000 on (output row 1)
PACKAGES/eff/CH4/in.ch4_ionized.dynamics
differs from step 719 on (output row 1)
PACKAGES/machdyn/funnel_flow/in.funnel_flow
differs from step 800 on (output row 9)
PACKAGES/manybody_table/in.spce
differs from step 400 on (output row 4)
PACKAGES/manybody_table/in.spce2
differs from step 400 on (output row 4)
PACKAGES/manybody_table/in.spce_sw
differs from step 1000 on (output row 10)
PACKAGES/shock/nemd/in.nemd
differs from step 1000 on (output row 2)
body/in.cubes
differs from step 1000 on (output row 1)
body/in.squares
differs from step 1000 on (output row 1)
bpm/impact/in.bpm.impact.spring
differs from step 300 on (output row 3)
granregion/in.granregion.box
differs from step 400 on (output row 4)
mc/in.gcmc.lj
differs from step 1000 on (output row 1)
mc/in.hmc.flexible.melt
differs from step 850 on (output row 17)
mc/in.mixed
differs from step 1000 on (output row 1)
mc/in.pure
differs from step 1000 on (output row 1)
micelle/in.micelle
differs from step 850 on (output row 38)
nb3b/in.nb3b.screened
differs from step 700 on (output row 7)
peri/in.peri.pmb
differs from step 1000 on (output row 10)
rdf-adf/in.spce
differs from step 300 on (output row 3)
rdf-adf/in.spce.hbond
differs from step 300 on (output row 3)
rerun/in.first
differs from step 1000 on (output row 10)
rerun/in.rdf.first
differs from step 1000 on (output row 10)
rigid/in.rigid.cubes.nph
differs from step 600 on (output row 3)
rigid/in.rigid.cubes.npt
differs from step 600 on (output row 3)

Differs only after 1000 steps, consistent with chaos (29)

PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr
differs from step 5760 on (output row 578)
PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction
differs from step 4000 on (output row 40)
PACKAGES/pafi/in.pafi
differs from step 1100 on (output row 15)
PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized
differs from step 1150 on (output row 23)
PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized
differs from step 1150 on (output row 23)
PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
balance/in.balance
differs from step 6000 on (output row 60)
balance/in.balance.bond.fast
differs from step 2400 on (output row 24)
cmap/in.cmap
differs from step 10000 on (output row 10)
colloid/in.colloid
differs from step 7000 on (output row 7)
controller/in.controller.wall
differs from step 1500 on (output row 3)
ellipse/in.ellipse.gayberne
differs from step 2600 on (output row 27)
gjf/in.gjf.vfull
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
gjf/in.gjf.vhalf
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
gransurf/in.line.gran.data
differs from step 2100 on (output row 21)
gransurf/in.line.gran.global
differs from step 2600 on (output row 26)
gransurf/in.line.gran.surf
differs from step 2100 on (output row 21)
gransurf/in.tri.gran.data
differs from step 1900 on (output row 19)
gransurf/in.tri.gran.global
differs from step 2200 on (output row 22)
gransurf/in.tri.gran.global.stl
differs from step 2200 on (output row 22)
gransurf/in.tri.gran.surf
differs from step 1900 on (output row 19)
gransurf/in.tri.gran.surf.stl
differs from step 1900 on (output row 19)
gransurf/in.tribox.gran.data
differs from step 2000 on (output row 20)
gransurf/in.tribox.gran.global
differs from step 1700 on (output row 17)
gransurf/in.tribox.gran.global.stl
differs from step 4100 on (output row 41)
gransurf/in.tribox.gran.surf
differs from step 1800 on (output row 18)
gransurf/in.tribox.gran.surf.stl
differs from step 3900 on (output row 39)
replicate/in.replicate.bond.x
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
replicate/in.replicate.bond.x.noloop
differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started

Not really tested (206)

A "runtest" ran to completion but could not be checked against anything - there is no reference log file, or the run was a "-skiprun" dry run - so only the run itself was tested: it is neither passed nor skipped, and counted apart from both.

◉ runtest – Ran to completion, but nothing could be checked (138)

57	no reference log file, run as a crash test
33	log file could not be parsed
33	no reference log file, not shortened
15	no thermo output to compare

○ skipped – Not run at all (42)

27	needs a multi-partition run
15	excluded by the test configuration

⚠ error – Could not run for a reason outside the code (26)

26	package not installed

All tests

Status	Test	Time (s)	Details
✗ failed	`ASPHERE/box/in.box`	7.9	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/box/in.box.mp`	7.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/dimer/in.dimer`	3.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/dimer/in.dimer.mp`	7.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/ellipsoid/in.ellipsoid`	3.9	completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`ASPHERE/ellipsoid/in.ellipsoid.mp`	3.4	completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`ASPHERE/flat_membrane/in.flat_membrane`	3.2	completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
✗ failed	`ASPHERE/line/in.line`	3.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`ASPHERE/line/in.line.srd`	25.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`ASPHERE/poly/in.poly`	3.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 3)
✗ failed	`ASPHERE/poly/in.poly.mp`	3.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 3)
✗ failed	`ASPHERE/star/in.star`	5.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
✗ failed	`ASPHERE/star/in.star.mp`	5.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 12)
◉ runtest	`ASPHERE/superellipsoid_gran/in.bowling`	0.5	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`ASPHERE/superellipsoid_gran/in.drop_test`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`ASPHERE/superellipsoid_gran/in.ellipsoid_gran`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`ASPHERE/superellipsoid_gran/in.super_table`	0.8	completed, numerical checks skipped due to missing the reference log file
✗ failed	`ASPHERE/tri/in.tri.srd`	42.7	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output
✗ failed	`ASPHERE/vesicle/in.vesicle`	2.9	completed, 1 abs diff and 2 rel diff checks failed differs from step 200 on (output row 1)
⚠ error	`COUPLE/lammps_spparks/in.lammps`	0.5	failed, ERROR: Cannot open file data.lammps: No such file or directory (src/read_data.cpp:382)
⚠ error	`COUPLE/lammps_spparks/in.spparks`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: seed 56789 (src/input.cpp:308)
◉ runtest	`COUPLE/multiple/in.chain`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`COUPLE/plugin/in.lj`	0.5	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`COUPLE/python/in.fix_external`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`COUPLE/simple/in.lj`	0.5	completed, numerical checks skipped due to missing the reference log file
✗ failed	`DIFFUSE/in.msd.2d`	14.1	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.msd.2d.g++.8, which was written with 8 MPI processes instead of 2
✗ failed	`DIFFUSE/in.vacf.2d`	17.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Aug18.vacf.2d.g++.8, which was written with 8 MPI processes instead of 2
◉ runtest	`ELASTIC/in.elastic`	0.5	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`ELASTIC_T/BORN_MATRIX/Argon/Analytical/in.ljcov`	32.3	completed, error parsing log.ljcov.2 into YAML
◉ runtest	`ELASTIC_T/BORN_MATRIX/Argon/Numdiff/in.ljcov`	38.9	completed, error parsing log.ljcov.2 into YAML
◉ runtest	`ELASTIC_T/BORN_MATRIX/Silicon/in.elastic`	17.5	completed, error parsing log.elastic.2 into YAML
◉ runtest	`ELASTIC_T/DEFORMATION/Silicon/in.elastic`	2.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.bpm-fracture`	10.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.breakable`	3.6	completed, error parsing log.breakable.smoke.2 into YAML
◉ runtest	`GRAPHICS/in.cubes-and-pyramids`	1.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.mixer-drum`	8.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.obstacle-lines`	3.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`GRAPHICS/in.peptide-depth`	7.3	completed, error parsing log.peptide-depth.smoke.2 into YAML
◉ runtest	`GRAPHICS/in.peptide-hbonds`	4.6	completed, error parsing log.peptide-hbonds.smoke.2 into YAML
○ skipped	`GRAPHICS/in.peptide-pimd`	0.0	skipped, needs a multi-partition run ("fix 1 all pimd/langevin")
◉ runtest	`GRAPHICS/in.rhodo-delaunay`	7.2	completed, error parsing log.rhodo-delaunay.smoke.2 into YAML
◉ runtest	`GRAPHICS/in.water-arrows`	9.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◴ timeout	`HEAT/in.lj.ehex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.lj.hex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.spce.ehex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`HEAT/in.spce.hex`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✗ failed	`KAPPA/in.ehex`	37.8	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.ehex.g++.8, which was written with 8 MPI processes instead of 2
✗ failed	`KAPPA/in.heat`	41.6	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heat.g++.8, which was written with 8 MPI processes instead of 2
✗ failed	`KAPPA/in.heatflux`	60.7	completed, 4 abs diff and 4 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.heatflux.g++.8, which was written with 8 MPI processes instead of 2; the run needs 61 s: a production ...
✗ failed	`KAPPA/in.langevin`	42.6	completed, 5 abs diff and 5 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.langevin.g++.8, which was written with 8 MPI processes instead of 2
✗ failed	`KAPPA/in.mp`	46.7	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.15May22.mp.g++.8, which was written with 8 MPI processes instead of 2; the run needs 47 s: a production sized ...
✓ passed	`LEPTON/in.efield-lepton`	2.1	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Jan25.efield-lepton.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`MC-LOOP/in.mc`	0.9	completed, 3002 abs diff and 3002 rel diff checks failed differs from step 0 on (output row 1)
✗ failed	`PACKAGES/addtorque_group/in.addtorque`	12.4	completed, 3 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.10Sep2025.addtorque.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/adios/balance/in.adios_balance`	1.0	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/balance/in.adios_balance2`	1.0	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.first`	1.0	failed, package not installed, ERROR: Unrecognized dump style 'custom/adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.read_dump`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/adios/rerun/in.rerun`	0.5	failed, package not installed, ERROR: Unrecognized reader style 'adios' is part of the ADIOS package which is not enabled in this LAMMPS binary.
○ skipped	`PACKAGES/alchemy/in.alloy`	0.0	skipped, needs a multi-partition run ("fix 2 all alchemy")
○ skipped	`PACKAGES/alchemy/in.twowater`	0.0	skipped, needs a multi-partition run ("fix transform all alchemy")
◉ runtest	`PACKAGES/apip/in.surface.balance`	37.9	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
◉ runtest	`PACKAGES/apip/in.surface.la.cons`	21.7	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
◉ runtest	`PACKAGES/apip/in.surface.la.cons.balance`	49.3	completed, numerical checks skipped due to missing the reference log file the run needs 49 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balan ...
✓ passed	`PACKAGES/apip/in.surface.la.nocons`	3.2
✓ passed	`PACKAGES/apip/in.vacancy.const.lambda`	1.3
◉ runtest	`PACKAGES/apip/in.vacancy.dynamic.lambda`	2.7	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.02Apr25.surface.balance.nolb.g++.4, log.02Apr25.surface.balance.rcb.myweight.g++.4, log.02Apr25.surface.balance.rcb.time.g++.4, ... in this folder m ...
✗ failed	`PACKAGES/apip/in.validate`	0.5	completed, 1 abs diff and 1 rel diff checks failed differs from step 0 on (output row 2)
✗ failed	`PACKAGES/baoab/in.baoab_lj`	0.7	completed, 8 abs diff and 8 rel diff checks failed differs from step 100 on (output row 1) (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
◴ timeout	`PACKAGES/basal/in.basal`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost ...
✓ passed	`PACKAGES/bocs/1_site_just_pair_LD/in.basic_ldd`	1.4
✗ failed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_create_data`	2.2	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`PACKAGES/bocs/4_sites_LD_SG/in.ldd_molecule`	1.8	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/bocs/in.methanol`	7.5	completed, 4 abs diff and 4 rel diff checks failed differs from step 500 on (output row 1)
✓ passed	`PACKAGES/bondval/in.hexbto`	6.7
✗ failed	`PACKAGES/brownian/2d_velocity/in.2d.velocity`	0.7	completed, 1 abs diff and 1 rel diff checks failed differs from step 500 on (output row 1)
✗ failed	`PACKAGES/brownian/align_self/in.alignself_dipole`	2.6	completed, 6 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_dipole.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/brownian/align_self/in.alignself_quat`	3.6	completed, 6 abs diff and 6 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Dec25.alignself_quat.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/brownian/asphere/in.2d.ellipsoid`	0.9
✓ passed	`PACKAGES/brownian/asphere/in.3d.ellipsoid`	0.8
✓ passed	`PACKAGES/brownian/point/in.2d.point`	0.6
✓ passed	`PACKAGES/brownian/point/in.3d.point`	0.8
✓ passed	`PACKAGES/brownian/sphere/in.2d.sphere`	0.7
✓ passed	`PACKAGES/brownian/sphere/in.3d.sphere`	0.8
✗ failed	`PACKAGES/brownian/spherical_ABP/in.2d.abp`	1.5	completed, 1 abs diff and 1 rel diff checks failed differs from step 0 on (output row 51)
✓ passed	`PACKAGES/brownian/spherical_ABP/in.3d.ideal_abp`	1.9
✗ failed	`PACKAGES/cauchy/in.cauchystat`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.2Jun2020.cauchystat.g++.1, which was written with 1 MPI processes instead of 2
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/dsring/in.dsring`	2.4
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA2/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxDNA3/duplex2/in.duplex2`	0.7
⚠ error	`PACKAGES/cgdna/examples/lj_units/oxDNA3/unique_bp/in.dsring2`	0.5	failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_lj.cgdna: No such file or directory (src/potential_file_reader.cpp:58)
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxRNA2/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/lj_units/oxRNA2/potential_file/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/dsring/in.dsring`	2.5
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex1/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/duplex3/in.duplex3`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA2/potential_file/in.duplex1`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxDNA3/duplex2/in.duplex2`	0.7
⚠ error	`PACKAGES/cgdna/examples/real_units/oxDNA3/unique_bp/in.dsring2`	0.5	failed, ERROR on proc 0: cannot open oxdna potential potential file oxdna2_real.cgdna: No such file or directory (src/potential_file_reader.cpp:58)
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/duplex2/in.duplex2`	0.6
✓ passed	`PACKAGES/cgdna/examples/real_units/oxRNA2/potential_file/in.duplex2`	0.7
◉ runtest	`PACKAGES/cgspica/peg-verlet/in.pegc12e8`	15.7	completed, error parsing log.pegc12e8.2 into YAML
◉ runtest	`PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle`	16.4	completed, error parsing log.pegc12e8-angle.2 into YAML
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-hybrid`	2.0
✓ passed	`PACKAGES/cgspica/sds-monolayer/in.sds-regular`	2.0
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid`	1.2	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/charge_regulation/in.chreg-acid-real`	0.9	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/charge_regulation/in.chreg-polymer`	1.3	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/class2xe/in.NVT_class2xe.script`	0.5
✗ failed	`PACKAGES/cnp/in.cnp`	4.2	completed, 8 abs diff and 6 rel diff checks failed differs from step 10 on (output row 1)
◉ runtest	`PACKAGES/colvars/in.peptide-colvars`	1.6	completed, error parsing log.peptide-colvars.2 into YAML
◉ runtest	`PACKAGES/colvars/in.peptide-colvars2`	0.9	completed, error parsing log.peptide-colvars2.2 into YAML
✓ passed	`PACKAGES/colvars/in.peptide-spring`	0.8
✓ passed	`PACKAGES/colvars/in.peptide-spring2`	0.8
◉ runtest	`PACKAGES/dielectric/in.confined`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
◉ runtest	`PACKAGES/dielectric/in.nopbc`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.07Mar23.confined.dof.g++.1, log.07Mar23.confined.dof.g++.4, log.07Mar23.confined.gmres.g++.1, ... in this folder match no input script at all: check ...
✓ passed	`PACKAGES/diffraction/in.BulkNi`	37.9
✗ failed	`PACKAGES/dispersion/in.d2`	2.0	completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d2.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dispersion/in.d3`	3.2	completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Dec2024.d3.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-basic/dpd/in.dpd`	0.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long`	1.2	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat`	2.8	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/dpd-basic/dpdext/in.dpdext`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.5Apr22.dpdext.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat`	4.9	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
⚠ error	`PACKAGES/dpd-meso/edpd/in.edpd`	1.1	failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable velocity create with "loop local": cannot match log.21Apr23.edpd.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/dpd-meso/edpd/in.edpd-region`	1.3	failed, ERROR on proc 0: Non-numeric atom coords - simulation unstable velocity create with "loop local": cannot match log.21Apr23.edpd-region.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-meso/mdpd/in.mdpd`	32.2	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with "loop local": cannot match log.16Aug17.mdpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-meso/tdpd/in.tdpd`	19.4	completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output velocity create with "loop local": cannot match log.21Apr23.tdpd.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/dpd-meso/tdpd/in.tdpd-region`	19.6	completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output velocity create with "loop local": cannot match log.21Apr23.tdpd-region.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow`	0.6	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-react/dpd-vv/in.dpd-vv`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow`	0.7	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-react/dpde-vv/in.dpde-vv`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow`	1.6	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow`	0.6	completed, numerical checks skipped due to missing the reference log file
⚠ error	`PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow`	0.5	failed, ERROR on proc 0: Shardlow algorithm requires sub-domain length > 2*(rcut+skin). Either reduce the number of processors requested, or change the cutoff/skin: rcut= 36 bbx= 34.565272530332074 bb ...
◉ runtest	`PACKAGES/dpd-react/multi-lucy/in.multi-lucy`	0.9	completed, numerical checks skipped due to missing the reference log file
◉ runtest	`PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.2d-diffusion-in-shear-flow.g++.1, log.28Mar23.2d-diffusion-in-shear-flow.g++.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/dpd-smooth/2d-diffusion/in.lammps`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.2d-diffusion.g++.1, log.28Mar23.2d-diffusion.g++.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/dpd-smooth/equipartition-verification/in.lammps`	6.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.28Mar23.equipartition.g++.1, log.28Mar23.equipartition.g++.4 in this folder match no input script at all: check the names
✗ failed	`PACKAGES/drude/butane/in.butane.lang`	15.2	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/butane/in.butane.nh`	15.7	completed, 4 abs diff and 3 rel diff checks failed differs from step 150 on (output row 3)
✗ failed	`PACKAGES/drude/butane/in.butane.tgnh`	13.5	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.lang`	12.1	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.nh`	14.9	completed, 5 abs diff and 5 rel diff checks failed differs from step 60 on (output row 3)
✗ failed	`PACKAGES/drude/ethanol/in.ethanol.tgnh`	14.4	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/ethylene_glycol/in.ethylene_glycol`	9.2	completed, 4 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.lang`	16.5	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/swm4-ndp/in.swm4-ndp.nh`	15.8	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/drude/toluene/in.toluene.lang`	17.0	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`PACKAGES/drude/toluene/in.toluene.nh`	19.8	completed, 5 abs diff and 5 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/e3b/in.e3b-tip4p2005`	1.2
✗ failed	`PACKAGES/edip/in.edip-Si`	0.5	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`PACKAGES/edip/in.edip-Si-multi`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.4May2017.edip-Si-multi.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`PACKAGES/edip/in.edip-SiC`	0.5
✓ passed	`PACKAGES/ees/in.fix_wall`	0.7
✓ passed	`PACKAGES/ees/in.fix_wall_region`	0.9
✗ failed	`PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve`	53.2	failed, thermo checks skipped due to mismatched number of steps in the log files the run needs 53 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/eff/Be-solid/in.Be-solid.spe`	4.7
✗ failed	`PACKAGES/eff/CH4/in.ch4.dynamics`	1.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✓ passed	`PACKAGES/eff/CH4/in.ch4.min`	0.5
✗ failed	`PACKAGES/eff/CH4/in.ch4_ionized.dynamics`	21.1	completed, 8 abs diff and 9 rel diff checks failed differs from step 719 on (output row 1)
✗ failed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6`	0.5	completed, 0 abs diff and 1 rel diff checks failed differs from step 54 on (output row 27)
✗ failed	`PACKAGES/eff/ECP/Si2H6/in.Si2H6.ang`	4.0	completed, 4 abs diff and 5 rel diff checks failed differs from step 50 on (output row 5)
✓ passed	`PACKAGES/eff/ECP/SiC/bulk/in.SiC`	11.1
◉ runtest	`PACKAGES/eff/ECP/SiH4/in.SiH4`	0.5	completed, error parsing log.SiH4.2 into YAML
◉ runtest	`PACKAGES/eff/ECP/SiH4/in.SiH4.ang`	0.5	completed, error parsing log.SiH4.ang.2 into YAML
✓ passed	`PACKAGES/eff/H/in.h_atom.spe.ang`	0.5
✓ passed	`PACKAGES/eff/H/in.h_atom.spe.bohr`	0.5
✓ passed	`PACKAGES/eff/H2/in.h2`	2.3
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.npt`	17.1
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.nve`	29.3
✓ passed	`PACKAGES/eff/H_plasma/in.h2bulk.nve.ang`	31.0
✓ passed	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.min`	15.1
✗ failed	`PACKAGES/eff/Li-dendritic/in.Li-dendritic.nvt`	27.1	completed, 2 abs diff and 0 rel diff checks failed differs from step 70 on (output row 7)
✓ passed	`PACKAGES/eff/Li-solid/in.Li.ang`	32.8
✓ passed	`PACKAGES/eff/Li-solid/in.Li.bohr`	21.2
✗ failed	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.ang`	2.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 63 on (output row 1)
✗ failed	`PACKAGES/eff/fixed-core/C2H6/in.C2H6fc.bohr`	0.7	completed, 1 abs diff and 3 rel diff checks failed differs from step 47 on (output row 1)
✗ failed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang`	5.1	completed, 4 abs diff and 5 rel diff checks failed differs from step 30 on (output row 3)
✗ failed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr`	0.9	completed, 4 abs diff and 4 rel diff checks failed differs from step 5760 on (output row 578)
✓ passed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.ang`	0.5
✓ passed	`PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr`	0.5
◉ runtest	`PACKAGES/electrode/au-aq/in.ffield`	68.3	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 68 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
◉ runtest	`PACKAGES/electrode/au-aq/in.tf`	68.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash the run needs 68 s: a production sized run that should be shortened in the repository (it does not even finish with its run commands shortened to 100 steps, so the cost is in the setup); no reference ...
◉ runtest	`PACKAGES/electrode/graph-il/in.conp`	7.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.conq`	7.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.conq2`	7.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.etypes`	7.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.ffield`	7.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.ramp`	7.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/graph-il/in.thermo`	7.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.1Dec2022.graph-il-conp.g++.1, log.1Dec2022.graph-il-conp.g++.4, log.1Dec2022.graph-il-conq.g++.1, ... in this folder match no input script at all: c ...
◉ runtest	`PACKAGES/electrode/madelung/in.cg`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
✓ passed	`PACKAGES/electrode/madelung/in.eta`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.eta_cg`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.eta_mix`	0.5
✓ passed	`PACKAGES/electrode/madelung/in.ewald-ew2d`	0.5
◉ runtest	`PACKAGES/electrode/madelung/in.ewald-ew3dc`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◉ runtest	`PACKAGES/electrode/madelung/in.ewald-ffield`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◉ runtest	`PACKAGES/electrode/madelung/in.pppm-ew3dc`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◉ runtest	`PACKAGES/electrode/madelung/in.pppm-ffield`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.1Dec2022.madelung-cg.g++.1, log.1Dec2022.madelung-ewald-ew3dc.g++.1, log.1Dec2022.madelung-ewald-ffield.g++.1, ... in this folder match no input scr ...
◴ timeout	`PACKAGES/electrode/piston/in.piston`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew2d`	0.5
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ew3dc`	0.6
✓ passed	`PACKAGES/electrode/planar/in.planar-ewald-ffield`	0.5
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ew3dc`	1.0
✓ passed	`PACKAGES/electrode/planar/in.planar-pppm-ffield`	1.0
✗ failed	`PACKAGES/electron_stopping/in.cascade_AlCu`	1.8	completed, 2 abs diff and 0 rel diff checks failed differs from step 30 on (output row 6) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_AlCu.intel.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/electron_stopping/in.cascade_SiSi`	2.6	completed, 2 abs diff and 0 rel diff checks failed differs from step 5 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Sep2020.cascade_SiSi.intel.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/electron_stopping/in.elstop`	7.9	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.20Mar19.elstop.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/electron_stopping/in.elstop.only`	1.3
◉ runtest	`PACKAGES/entropy/in.entropy`	0.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`PACKAGES/extep/in.extep-bn`	0.6	completed, 3 abs diff and 1 rel diff checks failed differs from step 60 on (output row 6)
◉ runtest	`PACKAGES/fep/C7inEthanol/fep01/in.insertion`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/C7inEthanol/fep10/in.deletion`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/fep/CC-CO/fep01/in.fep01.lmp`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CC-CO/fep10/in.fep10.lmp`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bar01.lmp.smoke.1, log.bar01.lmp.smoke.2, log.bar01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp`	0.7	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bar10.lmp.smoke.1, log.bar10.lmp.smoke.2, log.bar10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp`	0.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp`	1.2	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fdti01.lmp.smoke.1, log.fdti01.lmp.smoke.2, log.fdti01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp`	1.1	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fdti10.lmp.smoke.1, log.fdti10.lmp.smoke.2, log.fdti10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep01.lmp.smoke.1, log.fep01.lmp.smoke.2, log.fep01.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp`	0.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.fep10.lmp.smoke.1, log.fep10.lmp.smoke.2, log.fep10.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/fep/ta/in.spce.lmp`	1.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.spce.lmp.smoke.1, log.spce.lmp.smoke.2, log.spce.lmp.smoke.4 in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/filter_corotate/in.bpti`	7.5	completed, error parsing log.bpti.2 into YAML
✗ failed	`PACKAGES/filter_corotate/in.peptide`	23.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✓ passed	`PACKAGES/flow_gauss/in.GD`	1.2
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel`	0.6	completed, error parsing log.gauss-diel.smoke.2 into YAML
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel-cg`	0.6	completed, error parsing log.gauss-diel-cg.smoke.2 into YAML
◉ runtest	`PACKAGES/gauss_diel/in.gauss-diel-split`	0.6	completed, error parsing log.gauss-diel-split.smoke.2 into YAML
✗ failed	`PACKAGES/gle/in.h2o-quantum`	5.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/gle/in.h2o-smart`	5.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/grem/lj-6rep/in.gREM`	0.9	failed, ERROR: Cannot open file restart_file: No such file or directory (src/read_data.cpp:382)
✗ failed	`PACKAGES/grem/lj-single/in.gREM-npt`	0.6	completed, 4 abs diff and 4 rel diff checks failed differs from step 20 on (output row 2) (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`PACKAGES/grem/lj-single/in.gREM-nvt`	0.5
○ skipped	`PACKAGES/grem/lj-temper/in.gREM-temper`	0.0	skipped, needs a multi-partition run ("temper/grem")
⚠ error	`PACKAGES/hdnnp/in.hdnnp`	0.5	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/hdnnp/in.hybrid`	0.5	failed, package not installed, ERROR: Unrecognized pair style 'hdnnp' is part of the ML-HDNNP package which is not enabled in this LAMMPS binary.
◉ runtest	`PACKAGES/hma/in.hma`	36.0	completed, but no Step nor Loop in the output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.6Nov18.hma.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/ilves/in.cg-polymers`	1.2	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/ilves/in.covid`	23.4	completed, 3 abs diff and 1 rel diff checks failed differs in the very first thermo output
◉ runtest	`PACKAGES/ilves/in.dimer`	0.8	completed, error parsing log.dimer.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-allbonds`	1.7	completed, error parsing log.peptide-allbonds.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-fixed`	1.6	completed, error parsing log.peptide-fixed.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-ilves`	1.6	completed, error parsing log.peptide-ilves.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-mix`	1.4	completed, error parsing log.peptide-mix.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-rattle`	1.4	completed, error parsing log.peptide-rattle.2 into YAML
◉ runtest	`PACKAGES/ilves/in.peptide-shake`	1.4	completed, error parsing log.peptide-shake.2 into YAML
✗ failed	`PACKAGES/ilves/in.polymelt`	8.6	completed, 2 abs diff and 3 rel diff checks failed differs in the very first thermo output
◉ runtest	`PACKAGES/ilves/in.rhodo-allbonds`	11.9	completed, error parsing log.rhodo-allbonds.2 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-ilves`	10.5	completed, error parsing log.rhodo-ilves.2 into YAML
◉ runtest	`PACKAGES/ilves/in.rhodo-shake`	9.6	completed, error parsing log.rhodo-shake.2 into YAML
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.bucky-plus-cnt-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv-filter_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala-solv_imd_v3`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.deca-ala_imd-gpu`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/imd/in.melt_imd-gpu`	0.0	skipped as specified in the test configuration
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water`	10.1	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt`	5.3	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/drip/in.CH_drip`	1.0	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`PACKAGES/interlayer/drip/in.C_drip`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene`	27.1	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN`	27.5
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN`	29.3
✓ passed	`PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn`	29.0
✗ failed	`PACKAGES/interlayer/ilp_tmds/in.mos2`	23.2	completed, 1 abs diff and 0 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene`	26.0	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion`	0.7
✓ passed	`PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene`	1.0
✓ passed	`PACKAGES/interlayer/saip_metal/in.gold_gr`	4.1
✗ failed	`PACKAGES/interlayer/saip_metal_tmd/in.au_mos2`	24.4	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`PACKAGES/ipi/in.graphene`	1.0	failed, ERROR on proc 0: Error opening UNIX socket: server may not be running or the path to the socket unavailable (src/MISC/fix_ipi.cpp:131)
◴ timeout	`PACKAGES/latboltz/confined_colloid/in.confined_colloids`	180.1	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/diffusingsphere/in.trapnewsphere`	180.1	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/latboltz/dragforce/in.dragtest`	120.4	the run needs 120 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/microrheology/in.microrheology`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✓ passed	`PACKAGES/latboltz/pit_geometry/in.pits`	85.0	the run needs 85 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/planewall/in.planewall`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/polymer/in.polymer`	180.1	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/toycar/in.toycar`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`PACKAGES/latboltz/translocation/in.translocation`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◉ runtest	`PACKAGES/local_density/benzene_water/in.benzene_water`	11.8	completed, but no Step nor Loop in the output
◉ runtest	`PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water`	15.0	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull`	1.1
✗ failed	`PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction`	13.3	completed, 1 abs diff and 1 rel diff checks failed differs from step 4000 on (output row 40)
✗ failed	`PACKAGES/machdyn/funnel_flow/in.funnel_flow`	15.1	completed, 0 abs diff and 1 rel diff checks failed differs from step 800 on (output row 9)
✗ failed	`PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d`	6.8	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull`	1.5
✗ failed	`PACKAGES/manybody_table/in.spce`	1.3	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce2`	1.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 400 on (output row 4)
✗ failed	`PACKAGES/manybody_table/in.spce_sw`	2.0	completed, 1 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`PACKAGES/mbx/256h2o/in.256h2o`	21.8	completed, 4 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/256h2o_dipole/in.256h2o_dipole`	21.5	completed, 4 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/mof_ff_lammps+1_h2o_mbx/in.mof_1h2o`	10.2	completed, 2 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/mbx/na+_slab/in.na+_slab`	72.6	completed, 2 abs diff and 0 rel diff checks failed differs in the very first thermo output the run needs 73 s: a production sized run that should be shortened in the repository
✗ failed	`PACKAGES/meam_spline/in.meam-spline.Si`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.Si.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/meam_spline/in.meam-spline.TiO2`	15.2	completed, 12 abs diff and 10 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.17Dec2022.meam-spline.TiO2.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/meam_sw_spline/Si/in.bcc`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Si/in.bcc_relax`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/meam_sw_spline/Si/in.dc`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Si/in.dc_relax`	1.5	completed, 0 abs diff and 2 rel diff checks failed differs from step 136 on (output row 136)
✓ passed	`PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw`	4.4
✓ passed	`PACKAGES/meam_sw_spline/Si/in.fcc`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Si/in.fcc_relax`	0.5	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`PACKAGES/meam_sw_spline/Si/in.hcp_relax`	1.4	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/meam_sw_spline/Si/in.sc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Si/in.sc_relax`	1.0
✓ passed	`PACKAGES/meam_sw_spline/Si/in.single_atom`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.alpha`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation`	0.8	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.beta`	0.5
✗ failed	`PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw`	26.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 140 on (output row 14)
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.fcc`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.hexagonal`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.omega`	0.5
✓ passed	`PACKAGES/meam_sw_spline/Ti/in.single_atom`	0.5
✓ passed	`PACKAGES/mesont/in.film_mesocnt`	4.7
✓ passed	`PACKAGES/mgpt/in.bcc0`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.bcc0.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/mgpt/in.vac0-bcc`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.vac0-bcc.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/mgpt/in.vacmin-bcc`	3.0
✓ passed	`PACKAGES/ml-runner/in.ml-runner.H2O`	1.3
◉ runtest	`PACKAGES/mofff/in.hkust1`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/mofff/in.hkust1_long`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.26Apr26.khust1.g++.1, log.26Apr26.khust1.g++.4, log.26Apr26.khust1_long.g++.1, ... in this folder match no input script at all: check the names
✓ passed	`PACKAGES/momb/in.system`	5.4
⚠ error	`PACKAGES/moments/in.converge`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.converge.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/moments/in.simple`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.simple.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/moments/in.valtest`	0.5	failed, ERROR on proc 0: cannot open eam/alloy potential file AlCu.eam.alloy: No such file or directory (src/potential_file_reader.cpp:58) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.02May2025.valtest.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`PACKAGES/momentum/in.momentum`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✓ passed	`PACKAGES/mop/in.compute_stress_mop`	0.5
✗ failed	`PACKAGES/neighbor-swap/in.KMC_pulse_center`	22.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✗ failed	`PACKAGES/neighbor-swap/in.KMC_pulse_edge`	23.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 2)
✓ passed	`PACKAGES/orient_eco/in.orient_eco`	36.5
✓ passed	`PACKAGES/pace/compute/in.compute`	0.5
✓ passed	`PACKAGES/pace/in.pace.product`	3.4
✓ passed	`PACKAGES/pace/in.pace.recursive`	2.9
✗ failed	`PACKAGES/pafi/in.pafi`	1.4	completed, 2 abs diff and 2 rel diff checks failed differs from step 1100 on (output row 15)
✗ failed	`PACKAGES/pedone/in.pedone.melt`	3.3	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Apr24.pedone.melt.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/pedone/in.pedone.relax`	5.7	failed, thermo checks skipped due to mismatched number of steps in the log files
◉ runtest	`PACKAGES/phonon/1-1D-mono/in.Ana`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/1-1D-mono/in.disp`	0.0	skipped as specified in the test configuration
⚠ error	`PACKAGES/phonon/2-1D-diatomic/in.Ana`	13.4	failed, ERROR on proc 0: Bond atoms 33 34 missing on proc 0 at step 595843
○ skipped	`PACKAGES/phonon/2-1D-diatomic/in.disp`	0.0	skipped as specified in the test configuration
◉ runtest	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.EAM3D`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.disp2`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/3-3D-FCC-Cu-EAM/in.dos`	0.0	skipped as specified in the test configuration
○ skipped	`PACKAGES/phonon/4-Graphene/in.disp`	0.0	skipped as specified in the test configuration
◉ runtest	`PACKAGES/phonon/4-Graphene/in.graphene`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/phonon/dynamical_matrix_command/Silicon/in.silicon`	0.5	completed, but no Step nor Loop in the output
○ skipped	`PACKAGES/pimd/langevin_metal_units/in.langevin.metal`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_reduced_units/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/langevin_reduced_units_group/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/para-h2/in.scp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd/prot-hairpin/in.scp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd_bosonic/harmonic_trap_langevin/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
○ skipped	`PACKAGES/pimd_bosonic/harmonic_trap_nvt/in.lmp`	0.0	skipped, needs a multi-partition run ("variable ibead uloop")
✗ failed	`PACKAGES/plumed/in.peptide-plumed`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 10 on (output row 1)
⚠ error	`PACKAGES/pod/InP/in.fitpod.InP`	0.5	failed, ERROR: Cannot fit potential without data files. The data paths may not be valid. Please check the data paths in the POD data file. (src/ML-POD/fitpod_command.cpp:708)
✓ passed	`PACKAGES/pod/InP/in.pod.InP`	1.4
◉ runtest	`PACKAGES/pod/Ta/in.fitpod`	0.6	completed, but no Step nor Loop in the output
✓ passed	`PACKAGES/pod/Ta/in.pod`	0.6
⚠ error	`PACKAGES/pod/Ta/in.pod.compute`	0.5	failed, ERROR: compute command does not support multi processors (src/ML-POD/compute_pod_atom.cpp:42)
✓ passed	`PACKAGES/ptm/in.ptm`	0.5
✗ failed	`PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst`	16.7	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb`	4.6	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst`	35.0	completed, 5 abs diff and 5 rel diff checks failed differs from step 20 on (output row 1)
✗ failed	`PACKAGES/qtb/methane_qtb/in.methane_qtb`	6.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Nov23.methane_qtb.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/quip/in.gap`	1.3
✓ passed	`PACKAGES/quip/in.molecular`	0.5
✓ passed	`PACKAGES/quip/in.sw`	1.0
✗ failed	`PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene`	3.3	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt`	14.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized`	0.8
✗ failed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized`	2.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 1150 on (output row 23)
✗ failed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized`	0.8
✗ failed	`PACKAGES/reaction/tiny_nylon_json/in.tiny_nylon.stabilized`	2.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 1150 on (output row 23)
◉ runtest	`PACKAGES/reaction/tiny_nylon_wildcards/in.tiny_nylon.stabilized`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.11Feb2026.tiny_nylon_stabilized.g++.1, log.11Feb2026.tiny_nylon_stabilized.g++.4, log.tiny_nylon.stabilized.smoke.1, ... in this folder match no inp ...
✗ failed	`PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized`	9.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 10000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failed	`PACKAGES/rhok/in.crystal`	6.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.crystal.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/rhok/in.pinning`	6.5	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`PACKAGES/rhok/in.setup`	4.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Sep2017.setup.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`PACKAGES/scafacos/in.scafacos`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.cw.p3m`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.ewald`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.direct`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.fmm`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.hsph.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p2nfft`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
⚠ error	`PACKAGES/scafacos/in.scafacos.p3m`	0.5	failed, package not installed, ERROR: Unrecognized kspace style 'scafacos' is part of the SCAFACOS package which is not enabled in this LAMMPS binary.
✗ failed	`PACKAGES/shock/hugoniostat/in.hugoniostat`	4.7	completed, 2 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 4) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.hugoniostat.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/shock/msst/in.msst`	1.8	completed, 5 abs diff and 5 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.08Feb21.msst.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`PACKAGES/shock/nemd/in.nemd`	6.2	completed, 14 abs diff and 14 rel diff checks failed differs from step 1000 on (output row 2)
◉ runtest	`PACKAGES/slater/in.slater`	5.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/smtbq/in.smatbAgCuPancake`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/smtbq/in.smatbBulkFCC`	0.6	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/smtbq/in.smtbq.Al`	2.4	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`PACKAGES/smtbq/in.smtbq.Al2O3`	98.5	completed, numerical checks skipped due to missing the reference log file the run needs 99 s: a production sized run that should be shortened in the repository; no reference log file matches this input, while log.smtbq.Al.g++.1, log.smtbq.Al.g++.4, log.smtbq.Al2O3.g++.1, .. ...
◴ timeout	`PACKAGES/smtbq/in.smtbq.TiO2`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
⚠ error	`PACKAGES/sna_nnn_slcsa/in.slcsa`	0.5	failed, ERROR: Invalid compute slcsa/atom argument: slcsa (src/EXTRA-COMPUTE/compute_slcsa_atom.cpp:115)
⚠ error	`PACKAGES/srp/in.srp`	1.0	failed, no Total wall time in the output,
✗ failed	`PACKAGES/srp_react/in.srp_react`	27.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`PACKAGES/stressprofile/in.cylinder`	1.9
✓ passed	`PACKAGES/stressprofile/in.flat`	1.0
✓ passed	`PACKAGES/stressprofile/in.sphere`	0.9
✓ passed	`PACKAGES/symmetry/in.lj_binary_fcc_pinv`	0.5
✓ passed	`PACKAGES/symmetry/in.lj_diamond_pinv`	0.5
✓ passed	`PACKAGES/symmetry/in.lj_fcc_pinv`	0.5
✓ passed	`PACKAGES/symmetry/in.lj_pinv`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pinv.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/symmetry/in.lj_pm_wyckoff`	0.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27May26.lj_pm_wyckoff.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`PACKAGES/symmetry/in.sic_c2`	0.5
✓ passed	`PACKAGES/tally/in.force`	2.6
✓ passed	`PACKAGES/tally/in.pe`	2.7
✗ failed	`PACKAGES/tally/in.stress`	2.2	failed, thermo checks skipped due to mismatched number of steps in the log files
○ skipped	`PACKAGES/temper_npt/in.temper_npt`	0.0	skipped, needs a multi-partition run ("temper/npt")
◉ runtest	`PACKAGES/ti/in.ti_spring`	0.6	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/tmd/in.tmd`	1.7	completed, error parsing log.tmd.2 into YAML
✓ passed	`PACKAGES/uef/npt_biaxial/in.npt_biaxial`	2.0
✓ passed	`PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial`	1.8
✓ passed	`PACKAGES/uf3/in.uf3.Nb`	0.6
◉ runtest	`PACKAGES/vtk/in.vtk`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/vtk/in.vtp`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
◉ runtest	`PACKAGES/yaff/mil53al/in.mil53a`	3.9	completed, error parsing log.mil53a.2 into YAML
◉ runtest	`PACKAGES/yaff/mof5/in.mof5`	1.7	completed, error parsing log.mof5.2 into YAML
⚠ error	`QUANTUM/LATTE/in.ch4`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.ch4.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.graphene.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.series`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`QUANTUM/LATTE/in.series.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.sucrose.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.uo2.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.min.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/LATTE/in.water.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`QUANTUM/NWChem/in.series`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`QUANTUM/NWChem/in.series.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
◉ runtest	`QUANTUM/NWChem/in.water.mm`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
◉ runtest	`QUANTUM/NWChem/in.zeolite.mm`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.22Mar23.series.plugin.w.bcc.1, log.22Mar23.series.plugin.w.diamond.1, log.22Mar23.series.plugin.w.sc_001.1, ... in this folder match no input script ...
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/NWChem/in.zeolite.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`QUANTUM/PySCF/in.mixture.mm`	0.6	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.mixture.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
⚠ error	`QUANTUM/PySCF/in.water.qmmm.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qmmm (src/MDI/fix_mdi_qmmm.cpp:77)
✗ failed	`SPIN/bfo/in.spin.bfo`	2.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`SPIN/cobalt_fcc/in.spin.cobalt_fcc`	2.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_fcc.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/cobalt_hcp/in.spin.cobalt_hcp`	1.7	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.cobalt_hcp.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_cut`	2.0	completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_cut.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_ewald`	4.0	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_ewald.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/dipole_spin/in.spin.iron_dipole_pppm`	3.9	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_dipole_pppm.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`SPIN/gneb/iron/in.gneb.iron`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
○ skipped	`SPIN/gneb/skyrmion/in.gneb.skyrmion`	0.0	skipped, needs a multi-partition run ("fix 3 all neb/spin")
✗ failed	`SPIN/iron/in.spin.iron`	1.7	completed, 4 abs diff and 4 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/iron/in.spin.iron_cubic`	1.7	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.iron_cubic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/nickel/in.spin.nickel`	2.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`SPIN/nickel/in.spin.nickel_cubic`	1.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.14Apr20.spin.nickel_cubic.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`SPIN/read_restart/in.spin.read_data`	1.7
✗ failed	`SPIN/read_restart/in.spin.restart`	0.8	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`SPIN/read_restart/in.spin.write_restart`	1.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`SPIN/setforce_spin/in.spin.setforce`	0.9	failed, no Total wall time in the output,
✗ failed	`SPIN/spinmin/in.spin.bfo_min`	2.3	completed, 1 abs diff and 1 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`SPIN/spinmin/in.spin.bfo_min_cg`	2.2	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`SPIN/spinmin/in.spin.bfo_min_lbfgs`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`SPIN/spinmin/in.spin.iron_min`	0.6	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
⚠ error	`SPIN/test_problems/validation_nve/in.spin.iron-nve`	0.5	failed, ERROR: Illegal sectoring operation resulting in 4 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.iron-nve.g++.1, which was written with 1 MPI processes instead of 2
⚠ error	`SPIN/test_problems/validation_nvt/in.spin.nvt_lattice`	0.6	failed, ERROR: Illegal sectoring operation resulting in 4 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_lattice.g++.1, which was written with 1 MPI processes instead of 2
⚠ error	`SPIN/test_problems/validation_nvt/in.spin.nvt_spin`	0.5	failed, ERROR: Illegal sectoring operation resulting in 4 sectors instead of 8 (src/SPIN/fix_nve_spin.cpp:609) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11Mar25.spin.nvt_spin.g++.1, which was written with 1 MPI processes instead of 2
✗ failed	`UNITS/in.ar.lj`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.lj.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`UNITS/in.ar.metal`	0.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.metal.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`UNITS/in.ar.real`	0.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.8Oct19.ar.real.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`VISCOSITY/in.cos.1000SPCE`	9.0	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`VISCOSITY/in.einstein.2d`	25.4	completed, 6 abs diff and 6 rel diff checks failed differs from step 2000 on (output row 1), but the thermo output is too sparse to tell when it started velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.einstein.2d.g++.1, which was written with 1 MPI processes instead of 2
✗ failed	`VISCOSITY/in.gk.2d`	26.5	completed, 5 abs diff and 5 rel diff checks failed differs from step 2000 on (output row 1), but the thermo output is too sparse to tell when it started velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.gk.2d.g++.1, which was written with 1 MPI processes instead of 2
✗ failed	`VISCOSITY/in.mp.2d`	3.9	completed, 7 abs diff and 7 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.mp.2d.g++.1, which was written with 1 MPI processes instead of 2
✗ failed	`VISCOSITY/in.nemd.2d`	10.0	completed, 8 abs diff and 8 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Feb26.nemd.2d.g++.1, which was written with 1 MPI processes instead of 2
✗ failed	`VISCOSITY/in.wall.2d`	5.1	completed, 4 abs diff and 4 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Oct16.wall.2d.g++.1, which was written with 1 MPI processes instead of 2
✓ passed	`airebo/in.airebo`	13.7
✓ passed	`airebo/in.airebo-0-0`	2.0
✓ passed	`airebo/in.airebo-bc`	13.6
✓ passed	`airebo/in.airebo-m`	14.5
✓ passed	`airebo/in.rebo2`	1.9
✓ passed	`amoeba/in.ubiquitin`	5.1
✓ passed	`amoeba/in.water_box.amoeba`	3.7
✓ passed	`amoeba/in.water_box.hippo`	3.4
✗ failed	`amoeba/in.water_dimer.amoeba`	0.5	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_dimer.hippo`	0.5	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_hexamer.amoeba`	0.5	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
✗ failed	`amoeba/in.water_hexamer.hippo`	0.5	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
✓ passed	`atm/in.atm`	2.8
✗ failed	`balance/in.balance`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 6000 on (output row 60)
✗ failed	`balance/in.balance.bond.fast`	1.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 2400 on (output row 24)
✓ passed	`balance/in.balance.bond.slow`	1.5
✗ failed	`balance/in.balance.clock.dynamic`	4.1	completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.clock.static`	1.7	completed, 9 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.clock.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.group.dynamic`	1.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.group.static`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.group.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.kspace`	2.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.kspace.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.dynamic`	3.6	completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.rcb`	1.3	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.rcb.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.neigh.static`	3.0	completed, 14 abs diff and 15 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.neigh.static.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`balance/in.balance.var.dynamic`	5.2	completed, 11 abs diff and 12 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.3Nov23.balance.var.dynamic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`body/in.body`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2)
✗ failed	`body/in.cubes`	7.2	completed, 2 abs diff and 2 rel diff checks failed differs from step 1000 on (output row 1)
⚠ error	`body/in.pour3d`	0.5	failed, ERROR: Fix wall/body/polyhedron is incompatible with Pair style (src/BODY/fix_wall_body_polyhedron.cpp:245)
✗ failed	`body/in.squares`	4.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
⚠ error	`body/in.wall2d`	0.5	failed, ERROR: Fix wall/body/polygon is incompatible with Pair style (src/BODY/fix_wall_body_polygon.cpp:211)
◉ runtest	`bpm/impact/in.bpm.impact.rotational`	1.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bpm.impact.rotational.1, log.bpm.impact.rotational.2, log.bpm.impact.rotational.4, ... in this folder match no input script at all: check the names
✗ failed	`bpm/impact/in.bpm.impact.spring`	6.2	completed, 0 abs diff and 1 rel diff checks failed differs from step 300 on (output row 3)
✓ passed	`bpm/metamaterial/in.bpm.metamaterial`	62.0	the run needs 62 s: a production sized run that should be shortened in the repository
◉ runtest	`bpm/peri/benchmark/in.bench.bpm.pmb`	0.9	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
◉ runtest	`bpm/peri/benchmark/in.bench.legacy.pmb`	1.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bench.bpm.pmb.1, log.bench.bpm.pmb.2, log.bench.bpm.pmb.4, ... in this folder match no input script at all: check the names
◉ runtest	`bpm/peri/in.bpm.peri.eps`	1.4	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.bpm.peri.eps.1, log.bpm.peri.eps.2, log.bpm.peri.eps.4, ... in this folder match no input script at all: check the names
⚠ error	`bpm/peri/in.bpm.peri.lps`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.pmb`	1.1	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
⚠ error	`bpm/peri/in.bpm.peri.ves`	1.0	failed, ERROR: Fix ID dmg for compute reduce does not exist (src/compute_reduce.cpp:309)
✗ failed	`bpm/plasticity/in.bpm.plasticity`	74.9	completed, 0 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.plasticity.g++.1, which was written with 1 MPI processes instead of 2; the run needs 75 s: a pro ...
✗ failed	`bpm/poissons_ratio/in.bpm.poissons_ratio`	24.5	completed, 0 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov2024.bpm.poissons_ratio.g++.1, which was written with 1 MPI processes instead of 2
◴ timeout	`bpm/pour/in.bpm.pour`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✓ passed	`bpm/wires/in.bpm.wires`	7.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.16Apr2026.bpm.wires.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`charmmfsw/in.charmmfsw`	4.6	completed, 2 abs diff and 0 rel diff checks failed differs from step 20 on (output row 2)
✗ failed	`cmap/in.cmap`	2.9	completed, 1 abs diff and 1 rel diff checks failed differs from step 10000 on (output row 10)
✗ failed	`colloid/in.colloid`	5.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 7000 on (output row 7)
✗ failed	`comb/in.comb.Cu`	0.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 1 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Cu.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`comb/in.comb.Cu2O.elastic`	6.0
✓ passed	`comb/in.comb.HfO2`	1.6
✗ failed	`comb/in.comb.Si`	0.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 1 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`comb/in.comb.Si.elastic`	0.7	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.comb.Si.elastic.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`comb/in.comb3`	0.5	failed, ERROR: No support for comb3 currently available in OPENMP (src/OPENMP/fix_qeq_comb_omp.cpp:50)
✗ failed	`controller/in.controller.temp`	2.6	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`controller/in.controller.wall`	6.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 1500 on (output row 3)
✗ failed	`coreshell/in.coreshell`	3.1	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.dsf`	4.9	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.thermostats`	3.9	completed, 13 abs diff and 14 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`coreshell/in.coreshell.wolf`	5.5	completed, 10 abs diff and 10 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`crack/in.crack`	1.5	velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.crack.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`deposit/in.deposit.atom`	1.9	completed, 3 abs diff and 3 rel diff checks failed differs in the very first thermo output
✗ failed	`deposit/in.deposit.molecule`	2.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-nve-small`	2.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-nvt-small`	3.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.rigid-small`	3.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`deposit/in.deposit.molecule.shake`	2.7	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`dipole/in.charge_dipole`	10.5	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.26Jun26.charge_dipole.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`dipole/in.dipole`	1.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 2000 on (output row 4) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.dipole.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`dreiding/in.dreiding`	0.6	completed, error parsing log.dreiding.2 into YAML
✗ failed	`eim/in.eim`	1.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`ellipse/in.ellipse.gayberne`	1.0	completed, 2 abs diff and 2 rel diff checks failed differs from step 2600 on (output row 27)
✓ passed	`ellipse/in.ellipse.resquared`	1.2
✗ failed	`fire/in.abcfire`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.abcfire_mod`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.cg`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire`	0.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`fire/in.fire_mod`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`fire/in.meam.abcfire`	19.7
✓ passed	`fire/in.meam.fire`	27.5
○ skipped	`fire/in.neb.sivac.abcfire`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.abcfire_mod`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.fire`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.fire_mod`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`fire/in.neb.sivac.qm`	0.0	skipped, needs a multi-partition run ("variable u uloop")
✗ failed	`flow/in.flow.couette`	0.6	completed, 2 abs diff and 2 rel diff checks failed differs from step 2500 on (output row 5) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.couette.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`flow/in.flow.pois`	0.7	completed, 2 abs diff and 2 rel diff checks failed differs from step 3500 on (output row 7) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.flow.pois.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`friction/in.friction`	1.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.friction.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`gjf/in.gjf.vfull`	5.4	completed, 6 abs diff and 6 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failed	`gjf/in.gjf.vhalf`	5.1	completed, 6 abs diff and 6 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failed	`granregion/in.granregion.box`	1.3	completed, 7 abs diff and 10 rel diff checks failed differs from step 400 on (output row 4)
✓ passed	`granregion/in.granregion.funnel`	70.3	the run needs 70 s: a production sized run that should be shortened in the repository
✓ passed	`granregion/in.granregion.mixer`	27.6
✗ failed	`gransurf/in.line.gran.data`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 2100 on (output row 21)
✗ failed	`gransurf/in.line.gran.global`	0.8	completed, 2 abs diff and 2 rel diff checks failed differs from step 2600 on (output row 26)
✗ failed	`gransurf/in.line.gran.surf`	0.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 2100 on (output row 21)
✓ passed	`gransurf/in.screwfeeder.local`	62.5	the run needs 62 s: a production sized run that should be shortened in the repository
✗ failed	`gransurf/in.tri.gran.data`	1.0	completed, 5 abs diff and 6 rel diff checks failed differs from step 1900 on (output row 19)
✗ failed	`gransurf/in.tri.gran.global`	0.9	completed, 3 abs diff and 6 rel diff checks failed differs from step 2200 on (output row 22)
✗ failed	`gransurf/in.tri.gran.global.stl`	0.9	completed, 3 abs diff and 6 rel diff checks failed differs from step 2200 on (output row 22)
✗ failed	`gransurf/in.tri.gran.surf`	0.9	completed, 5 abs diff and 6 rel diff checks failed differs from step 1900 on (output row 19)
✗ failed	`gransurf/in.tri.gran.surf.stl`	0.9	completed, 5 abs diff and 6 rel diff checks failed differs from step 1900 on (output row 19)
✗ failed	`gransurf/in.tribox.gran.data`	2.4	completed, 8 abs diff and 10 rel diff checks failed differs from step 2000 on (output row 20)
✗ failed	`gransurf/in.tribox.gran.global`	1.6	completed, 5 abs diff and 10 rel diff checks failed differs from step 1700 on (output row 17)
✗ failed	`gransurf/in.tribox.gran.global.stl`	1.0	completed, 5 abs diff and 6 rel diff checks failed differs from step 4100 on (output row 41)
✗ failed	`gransurf/in.tribox.gran.surf`	2.4	completed, 6 abs diff and 10 rel diff checks failed differs from step 1800 on (output row 18)
✗ failed	`gransurf/in.tribox.gran.surf.stl`	2.1	completed, 10 abs diff and 10 rel diff checks failed differs from step 3900 on (output row 39)
✓ passed	`granular/in.pour.drum`	6.4
✓ passed	`granular/in.pour.flatwall`	4.5
✓ passed	`granular/in.pour.heat`	42.9
✓ passed	`granular/in.restitution`	9.2
✓ passed	`granular/in.sync_verlet`	3.5
✓ passed	`granular/in.tableting.200`	11.4
✓ passed	`granular/in.triaxial.compaction.12`	1.7
✓ passed	`grid/in.grid.2d`	0.5
✓ passed	`grid/in.grid.3d`	0.8
✓ passed	`grid/in.sph`	16.6
✗ failed	`hyper/in.hyper.global`	18.8	completed, 304 abs diff and 304 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`hyper/in.hyper.local`	4.2	failed, thermo checks skipped due to mismatched log files after the first run
✗ failed	`indent/in.indent`	2.4	completed, 6 abs diff and 6 rel diff checks failed differs from step 16000 on (output row 16) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.indent.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`indent/in.indent.min`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
⚠ error	`kim/in.kim-ex.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LennardJones_Ar real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-property`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-pm-query.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-pm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init SW_StillingerWeber_1985_Si__MO_405512056662_005 real (src/input.cpp:308)
⚠ error	`kim/in.kim-query`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005 metal (src/input.cpp:308)
⚠ error	`kim/in.kim-sm.melt`	0.5	failed, unknown command, package not installed, ERROR: Unknown command: kim init Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_000 real (src/input.cpp:308)
✓ passed	`kim/in.lammps.melt`	0.8
⚠ error	`mc/in.gcmc.co2`	0.6	failed, no Total wall time in the output, velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.co2.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mc/in.gcmc.h2o`	58.8	completed, 6 abs diff and 6 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.h2o.g++.4, which was written with 4 MPI processes instead of 2; the run needs 59 s: a production ...
✗ failed	`mc/in.gcmc.lj`	14.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.gcmc.region`	7.9	completed, 1 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`mc/in.gcmc.restart`	6.7	completed, 18 abs diff and 18 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.30Mar26.gcmc.restart.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`mc/in.gemc.lj`	0.0	skipped, needs a multi-partition run ("partition")
✗ failed	`mc/in.hmc.flexible.melt`	6.6	completed, 4 abs diff and 5 rel diff checks failed differs from step 850 on (output row 17)
⚠ error	`mc/in.hmc.rigid`	0.5	failed, no Total wall time in the output,
✗ failed	`mc/in.mixed`	19.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.pure`	18.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1)
✗ failed	`mc/in.sgcmc.eam`	9.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Dec22.sgcmc.eam.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mc/in.widom.lj`	2.6	completed, 4 abs diff and 4 rel diff checks failed differs from step 10 on (output row 1)
⚠ error	`mc/in.widom.spce`	0.5	failed, ERROR: fix widom does currently not support full_energy option with molecules on more than 1 MPI process. (src/MC/fix_widom.cpp:463)
✓ passed	`mdi/in.aimd.alone`	0.5
⚠ error	`mdi/in.aimd.driver`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.driver.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.aimd.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.mm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.aimdpy.qm`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
⚠ error	`mdi/in.sequence.python`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.series.alone`	0.5
⚠ error	`mdi/in.series.driver`	0.5	failed, ERROR: MDI unable to connect to stand-alone engine (src/MDI/mdi_command.cpp:56)
⚠ error	`mdi/in.series.driver.plugin`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.series.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`mdi/in.snapshot.alone`	0.6
⚠ error	`mdi/in.snapshot.driver`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.driver.plugin`	1.0	failed, ERROR: Must invoke LAMMPS as an MDI driver to use fix mdi/qm (src/MDI/fix_mdi_qm.cpp:69)
⚠ error	`mdi/in.snapshot.engine`	0.5	failed, ERROR: Must invoke LAMMPS as an MDI engine to use mdi engine (src/MDI/mdi_engine.cpp:131)
✓ passed	`meam/in.meam`	0.5
✗ failed	`meam/in.meam.shear`	14.1	completed, 5 abs diff and 5 rel diff checks failed differs from step 25 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.meam.shear.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`meam/msmeam/in.msmeam`	0.5
✓ passed	`melt/in.melt`	0.5
✗ failed	`mesh/in.marble_race`	41.7	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.marble_race.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`mesh/in.mesh_box`	3.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 2) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.11May22.mesh_box.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`micelle/in.micelle`	0.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 850 on (output row 38)
✗ failed	`micelle/in.micelle-rigid`	0.7	completed, 6 abs diff and 6 rel diff checks failed differs from step 50 on (output row 12)
✗ failed	`min/in.min`	0.6	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`min/in.min.box`	2.6	failed, thermo checks skipped due to mismatched number of steps in the log files velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.min.box.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`mliap/in.mliap.ace.compute`	0.6	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.nn.Cu`	2.0
✓ passed	`mliap/in.mliap.nn.Ta06A`	1.0
⚠ error	`mliap/in.mliap.pytorch.Ta06A`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.ace`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.ace.NN`	0.5	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
⚠ error	`mliap/in.mliap.pytorch.relu1hidden`	1.0	failed, ERROR: Using pair_style mliap model mliappy requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:172)
◉ runtest	`mliap/in.mliap.quadratic.compute`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.snap.Ta06A`	0.8
✓ passed	`mliap/in.mliap.snap.WBe.PRB2019`	1.5
✓ passed	`mliap/in.mliap.snap.chem`	6.3
◉ runtest	`mliap/in.mliap.snap.compute`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.snap.quadratic`	1.1
◉ runtest	`mliap/in.mliap.so3.Ni_Mo`	0.5	completed, but no Step nor Loop in the output
✓ passed	`mliap/in.mliap.so3.nn.Si`	1.8
⚠ error	`mliap/in.mliap.unified.lj.Ar`	0.5	failed, ERROR: Could not process Python string:
⚠ error	`mliap/jax/in.run`	0.9	failed, ERROR: Using pair_style mliap unified requires ML-IAP with python support (src/ML-IAP/pair_mliap.cpp:212)
✗ failed	`multi/in.colloid`	0.8	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.granular`	0.9	failed, thermo checks skipped due to mismatched number of steps in the log files
✗ failed	`multi/in.powerlaw`	1.7	failed, thermo checks skipped due to mismatched number of steps in the log files
✓ passed	`nb3b/in.nb3b`	1.7
✗ failed	`nb3b/in.nb3b.screened`	9.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 700 on (output row 7)
○ skipped	`neb/in.neb.hop1`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.hop1.end`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.hop2`	0.0	skipped, needs a multi-partition run ("variable u uloop")
○ skipped	`neb/in.neb.sivac`	0.0	skipped, needs a multi-partition run ("variable u uloop")
✓ passed	`nemd/in.nemd`	0.5
✗ failed	`numdiff/in.numdiff`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 10 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Feb2022.numdiff.g++.4, which was written with 4 MPI processes instead of 2 (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`obstacle/in.obstacle`	1.5	completed, 2 abs diff and 2 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.obstacle.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`peptide/in.peptide`	1.3	completed, error parsing log.peptide.2 into YAML
◉ runtest	`peri/in.peri-pmb`	0.8	completed, no reference log file, only checked that a run shortened to 100 steps does not crash
✗ failed	`peri/in.peri.eps`	9.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`peri/in.peri.lps`	3.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`peri/in.peri.pmb`	4.1	completed, 2 abs diff and 0 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`peri/in.peri.ves`	10.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`pour/in.pour`	9.6
✓ passed	`pour/in.pour.2d`	2.0
✓ passed	`pour/in.pour.2d.molecule`	2.5
○ skipped	`prd/in.prd`	0.0	skipped, needs a multi-partition run ("prd")
⚠ error	`python/in.fix_python_invoke`	0.5	failed, ERROR: Could not process Python string: velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.fix_python_invoke.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`python/in.fix_python_invoke_neighlist`	0.5	failed, ERROR: Could not process Python string:
⚠ error	`python/in.fix_python_move_nve_melt`	0.6	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_group`	0.5	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
⚠ error	`python/in.fix_python_move_nve_melt_opt`	0.5	failed, ERROR: Loading python integrator module failure (src/PYTHON/fix_python_move.cpp:64)
✓ passed	`python/in.pair_python_coulomb`	1.3
✗ failed	`python/in.pair_python_harmonic`	13.6	completed, 12 abs diff and 12 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.18Mar22.pair_python_harmonic.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`python/in.pair_python_hybrid`	4.4	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_hybrid.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`python/in.pair_python_long`	1.4
✗ failed	`python/in.pair_python_melt`	9.5	completed, 8 abs diff and 9 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_melt.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`python/in.pair_python_spce`	3.9
✗ failed	`python/in.pair_python_table`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.pair_python_table.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`python/in.python`	0.5	failed, ERROR on proc 1: Python evaluation of function loop failed (src/PYTHON/python_impl.cpp:416)
✓ passed	`python/in.python.wrap`	0.5
✗ failed	`qeq/in.qeq.buck`	5.5	completed, 1 abs diff and 0 rel diff checks failed differs from step 0 on (output row 45)
✓ passed	`qeq/in.qeq.reaxff`	0.5
✗ failed	`rdf-adf/in.spce`	22.3	completed, 6 abs diff and 5 rel diff checks failed differs from step 300 on (output row 3)
✗ failed	`rdf-adf/in.spce.hbond`	16.5	completed, 5 abs diff and 4 rel diff checks failed differs from step 300 on (output row 3)
✗ failed	`reaxff/AB/in.AB`	5.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/AuO/in.AuO`	3.2	completed, 2 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/CHO/in.CHO`	6.5	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`reaxff/FC/in.FC`	4.4
✗ failed	`reaxff/FeOH3/in.FeOH3`	4.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/HNS/in.reaxff.hns`	6.5	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/RDX/in.RDX`	7.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/VOH/in.VOH`	4.2	completed, 3 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`reaxff/ZnOH2/in.ZnOH2`	1.7	completed, 2 abs diff and 1 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`reaxff/ci-reaxFF/in.ci-reax.CH`	9.0
✗ failed	`reaxff/in.reaxff.rdx`	0.8	completed, 3 abs diff and 1 rel diff checks failed differs from step 10 on (output row 1)
✗ failed	`reaxff/in.reaxff.rdx-shielded`	0.7	completed, 3 abs diff and 2 rel diff checks failed differs in the very first thermo output
✗ failed	`reaxff/in.reaxff.tatb`	1.5	completed, 1 abs diff and 1 rel diff checks failed differs from step 10 on (output row 2)
✗ failed	`reaxff/in.reaxff.tatb-shielded`	1.5	completed, 1 abs diff and 0 rel diff checks failed differs in the very first thermo output
⚠ error	`reaxff/water/in.water.acks2`	0.5	failed, ERROR: Cannot (yet) use ACKS2 with OPENMP ReaxFF (src/OPENMP/pair_reaxff_omp.cpp:124)
⚠ error	`reaxff/water/in.water.acks2.field`	0.5	failed, ERROR: Cannot (yet) use ACKS2 with OPENMP ReaxFF (src/OPENMP/pair_reaxff_omp.cpp:124)
✓ passed	`reaxff/water/in.water.qeq`	2.5
✓ passed	`reaxff/water/in.water.qeq.field`	2.3
⚠ error	`reaxff/water/in.water.qeqr`	0.5	failed, no such style in this LAMMPS version, ERROR: Unrecognized fix style 'qeqr/reaxff' (src/modify.cpp:916) names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input
⚠ error	`reaxff/water/in.water.qeqr.field`	0.5	failed, no such style in this LAMMPS version, ERROR: Unrecognized fix style 'qeqr/reaxff' (src/modify.cpp:916) names a style that does not exist in any package, so this is a typo or an outdated name that has to be fixed in the input
✓ passed	`reaxff/water/in.water.qtpie`	3.0
✓ passed	`reaxff/water/in.water.qtpie.field`	3.0
✓ passed	`relres/in.22DMH.real`	12.3
✓ passed	`relres/in.22DMH.relres`	2.6
✓ passed	`relres/in.22DMH.respa`	1.9
✗ failed	`replicate/in.replicate.bond.x`	0.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✗ failed	`replicate/in.replicate.bond.x.noloop`	0.8	completed, 3 abs diff and 3 rel diff checks failed differs from step 5000 on (output row 1), but the thermo output is too sparse to tell when it started
✓ passed	`replicate/in.replicate.bond.x.y`	1.0
✓ passed	`replicate/in.replicate.bond.xy`	0.8
✓ passed	`replicate/in.replicate.cnt`	2.1
✗ failed	`rerun/in.first`	4.0	completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 10)
✗ failed	`rerun/in.rdf.first`	3.2	completed, 0 abs diff and 1 rel diff checks failed differs from step 1000 on (output row 10)
⚠ error	`rerun/in.rdf.rerun`	0.5	failed, ERROR on proc 0: Unexpected end of file while reading file '/home/akohlmey/compile/lammps-analyze/lammps/examples/rerun/lj.dump' (src/reader_native.cpp:490) (last OK: 2026-07-28T02-34-35Z_07fc5d47ac)
✓ passed	`rerun/in.read_dump`	0.6
✓ passed	`rerun/in.rerun`	0.6
✗ failed	`rheo/balloon/in.rheo.balloon`	178.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 2400 on (output row 12) the run needs 179 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`rheo/dam-break/in.rheo.dam.break`	96.3	completed, 0 abs diff and 1 rel diff checks failed differs in the very first thermo output the run needs 96 s: a production sized run that should be shortened in the repository (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
◴ timeout	`rheo/ice-cubes/in.rheo.ice.cubes`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
◴ timeout	`rheo/oxidation/in.rheo.oxidation`	180.0	failed, no Total wall time in the output, timeout (180s expired) the run needs 180 s and hits the timeout of 180 s: a production sized run that should be shortened in the repository
✗ failed	`rheo/poiseuille/in.rheo.poiseuille`	13.6	completed, 0 abs diff and 1 rel diff checks failed differs from step 200 on (output row 1) (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✗ failed	`rheo/taylor-green/in.rheo.taylor.green`	43.5	completed, 0 abs diff and 1 rel diff checks failed differs in the very first thermo output (last OK: 2026-07-28T01-01-42Z_73a17bb8cd)
✓ passed	`rigid/in.rigid`	0.7
✓ passed	`rigid/in.rigid.atomfile`	0.8
✓ passed	`rigid/in.rigid.atomvar`	0.8
✓ passed	`rigid/in.rigid.cubes`	0.8
✓ passed	`rigid/in.rigid.cubes.gravity`	0.9
✗ failed	`rigid/in.rigid.cubes.langevin`	1.0	completed, 3 abs diff and 3 rel diff checks failed differs from step 200 on (output row 1)
◉ runtest	`rigid/in.rigid.cubes.multirun`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✗ failed	`rigid/in.rigid.cubes.nph`	0.9	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✗ failed	`rigid/in.rigid.cubes.npt`	0.9	completed, 0 abs diff and 4 rel diff checks failed differs from step 600 on (output row 3)
✓ passed	`rigid/in.rigid.cubes.nve`	0.8
✓ passed	`rigid/in.rigid.cubes.nvt`	0.8
✓ passed	`rigid/in.rigid.cubes.partial`	0.8
✓ passed	`rigid/in.rigid.cubes.tri`	0.9
✗ failed	`rigid/in.rigid.dipoles`	0.7	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✓ passed	`rigid/in.rigid.early`	0.7
⚠ error	`rigid/in.rigid.ellipsoids`	0.5	failed, no Total wall time in the output, Abort(1011010830) on node 0 (rank 0 in comm 0): Fatal error in internal_Wait: Message truncated, error stack: internal_Wait(68205).....: MPI_Wait(request=0x7f ...
✓ passed	`rigid/in.rigid.gravity`	2.1
✓ passed	`rigid/in.rigid.infile`	0.9
✓ passed	`rigid/in.rigid.molecule`	0.8
✗ failed	`rigid/in.rigid.nve`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✗ failed	`rigid/in.rigid.nve.early`	1.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`rigid/in.rigid.property`	0.8
⚠ error	`rigid/in.rigid.small`	0.6	failed, no Total wall time in the output,
⚠ error	`rigid/in.rigid.small.infile`	0.6	failed, no Total wall time in the output,
◉ runtest	`rigid/in.rigid.small.kk`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.20Mar22.rigid.rigid.molecule.g++.1, log.20Mar22.rigid.rigid.molecule.g++.4, log.rigid.cubes.gravity.1, ... in this folder match no input script at a ...
✗ failed	`rigid/in.rigid.spheres`	0.6	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`rigid/in.rigid.tnr`	7.4	completed, 28 abs diff and 28 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`shear/in.shear`	1.2	completed, 5 abs diff and 5 rel diff checks failed differs from step 25 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.shear.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`shear/in.shear.void`	1.3	completed, 5 abs diff and 4 rel diff checks failed differs from step 25 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.27Nov18.shear.void.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`snap/in.C_SNAP`	13.7	completed, 4 abs diff and 4 rel diff checks failed differs from step 50 on (output row 1)
✓ passed	`snap/in.gaussian.grid`	0.5
✓ passed	`snap/in.snap.InP.JCPA2020`	6.2
✓ passed	`snap/in.snap.Mo_Chen`	0.8
✓ passed	`snap/in.snap.Ta06A`	0.8
✓ passed	`snap/in.snap.W.2940`	1.4
✓ passed	`snap/in.snap.WBe.PRB2019`	1.5
◉ runtest	`snap/in.snap.compute`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`snap/in.snap.compute.quadratic`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`snap/in.snap.grid`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
◉ runtest	`snap/in.snap.grid.triclinic`	0.5	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
✓ passed	`snap/in.snap.hybrid.WSNAP.HePair`	1.4
◉ runtest	`snap/in.snap.scale.Ni_Zuo_JCPA2020`	2.0	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.15Jun22.grid.snap.g++.1, log.15Jun22.grid.snap.g++.4, log.15Jun22.grid.tri.g++.1, ... in this folder match no input script at all: check the names
✗ failed	`srd/in.srd.mixture`	1.4	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 3)
✗ failed	`srd/in.srd.pure`	2.2	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`steinhardt/in.bcc`	0.5
✓ passed	`steinhardt/in.fcc`	0.5
✗ failed	`steinhardt/in.icos`	1.5	failed, thermo checks skipped due to mismatched number of steps in the log files velocity create with the default "loop all" and atoms from create_atoms: cannot match log.13Sept18.icos.g++.4, which was written with 4 MPI processes instead of 2
✓ passed	`streitz/in.ctip`	69.4	the run needs 69 s: a production sized run that should be shortened in the repository
◉ runtest	`streitz/in.gan`	0.8	completed, numerical checks skipped due to missing the reference log file
✗ failed	`streitz/in.streitz.ewald`	16.2	completed, 1 abs diff and 1 rel diff checks failed differs in the very first thermo output
✗ failed	`streitz/in.streitz.wolf`	19.6	failed, mismatched columns in the log files
✗ failed	`stress_vcm/in.stress_vcm`	5.2	completed, 7 abs diff and 7 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.19Nov24.stress_vcm.g++.4, which was written with 4 MPI processes instead of 2
○ skipped	`tad/in.tad`	0.0	skipped, needs a multi-partition run ("tad")
⚠ error	`template/in.hybrid`	0.5	failed, ERROR: OPENMP package does not (yet) work with atom_style template (src/OPENMP/fix_omp.cpp:164)
✗ failed	`template/in.mol-data-mix`	4.1	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`template/in.mol-restart-mix`	9.0	completed, 8 abs diff and 8 rel diff checks failed differs in the very first thermo output
✗ failed	`template/in.molecular-mix`	5.3	completed, 5 abs diff and 5 rel diff checks failed differs in the very first thermo output velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Oct20.molecular-mix.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`template/in.template-mix`	0.5	failed, ERROR: OPENMP package does not (yet) work with atom_style template (src/OPENMP/fix_omp.cpp:164) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.22Oct20.template-mix.g++.4, which was written with 4 MPI processes instead of 2
⚠ error	`template/in.tmpl-data-mix`	0.5	failed, ERROR: OPENMP package does not (yet) work with atom_style template (src/OPENMP/fix_omp.cpp:164)
⚠ error	`template/in.tmpl-restart-mix`	0.6	failed, ERROR: OPENMP package does not (yet) work with atom_style template (src/OPENMP/fix_omp.cpp:164)
✓ passed	`tersoff/in.hBN_shift`	0.7
✓ passed	`tersoff/in.tersoff`	0.6
✓ passed	`threebody/in.mos2-bulk`	0.5
✓ passed	`threebody/in.mos2.rebomos`	4.6
✓ passed	`threebody/in.mos2.sw.mod`	1.1
✓ passed	`threebody/in.threebody`	0.8
✓ passed	`tracker/in.track`	0.6
✓ passed	`triclinic/in.bcc.orthog`	0.5
✓ passed	`triclinic/in.bcc.primitive`	0.5
✓ passed	`triclinic/in.data.general`	0.5
✓ passed	`triclinic/in.fcc.orthog`	0.5
✓ passed	`triclinic/in.fcc.primitive`	0.5
✓ passed	`triclinic/in.hex.orthog`	0.5
✓ passed	`triclinic/in.hex.primitive`	0.5
✓ passed	`triclinic/in.sq2.orthog`	0.6
✓ passed	`triclinic/in.sq2.primitive`	0.5
✗ failed	`ttm/in.ttm`	3.9	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.grid`	4.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.mod`	2.1	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✗ failed	`ttm/in.ttm.thermal`	4.5	completed, 2 abs diff and 2 rel diff checks failed differs from step 100 on (output row 1)
✓ passed	`vashishta/in.vashishta.inp`	0.5
✓ passed	`vashishta/in.vashishta.sio2`	0.6
✓ passed	`vashishta/in.vashishta.table.inp`	0.5
✓ passed	`vashishta/in.vashishta.table.sio2`	0.6
◉ runtest	`voronoi/in.voronoi`	3.5	completed, but no Step nor Loop in the output
◉ runtest	`voronoi/in.voronoi.2d`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`voronoi/in.voronoi.data`	0.5	completed, but no Step nor Loop in the output
◉ runtest	`wall/in.wall.block`	3.0	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✗ failed	`wall/in.wall.ccl`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.ccl.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.diffusive`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.diffusive.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.flow`	2.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 100 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.7Feb24.wall.flow.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`wall/in.wall.harmonic.2d`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
◉ runtest	`wall/in.wall.harmonic.outside.2d`	0.5	completed, no reference log file, only checked that a run shortened to 100 steps does not crash no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.lepton`	0.5
✗ failed	`wall/in.wall.maxwell`	0.9	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.maxwell.g++.4, which was written with 4 MPI processes instead of 2
✗ failed	`wall/in.wall.specular`	0.6	completed, 3 abs diff and 3 rel diff checks failed differs from step 1000 on (output row 1) velocity create with the default "loop all" and atoms from create_atoms: cannot match log.9Jan20.wall.specular.g++.4, which was written with 4 MPI processes instead of 2
◉ runtest	`wall/in.wall.sphere`	3.3	completed, numerical checks skipped due to missing the reference log file no reference log file matches this input, while log.wall.harmonic.2d.1, log.wall.harmonic.2d.2, log.wall.harmonic.2d.4, ... in this folder match no input script at all: check the names
✓ passed	`wall/in.wall.table`	0.5
◉ runtest	`yaml/in.yaml`	1.2	completed, error parsing log.yaml.2 into YAML